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70360-60-0 | 2-Propenenitrile, 3-bromo-2-(ethylthio)-3-phenyl-, (E)-
CAS No: 70360-60-0 Catalog No: AG005JTO MDL No:
Product Description
Catalog Number:
AG005JTO
Chemical Name:
2-Propenenitrile, 3-bromo-2-(ethylthio)-3-phenyl-, (E)-
CAS Number:
70360-60-0
Molecular Formula:
C11H10BrNS
Molecular Weight:
268.1728
IUPAC Name:
3-bromo-2-ethylsulfanyl-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C11H10BrNS/c1-2-14-10(8-13)11(12)9-6-4-3-5-7-9/h3-7H,2H2,1H3
InChI Key:
MANHTJYIRBOYIN-UHFFFAOYSA-N
SMILES:
CCS/C(=C(\c1ccccc1)/Br)/C#N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.972g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.172g/mol
Monoisotopic Mass:
266.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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